Wood is a living material with a dimensional stability problem. White spruce wood is a Canadian non-permeable wood that is used for siding applications. To improve this property, white spruce wood was treated with organosilanes sol-gel treatment with different moisture content (oven dried, air dried, and green wood). No major morphological changes were observed after treatment. However, organosilanes were impregnated into the cell wall without densifying the wood and without modifying the wood structure. Si-O-C chemical bonds between organosilanes and wood and Si-O-Si bonds were confirmed by FTIR and NMR, showing the condensation of organosilanes. The green wood (41% moisture content) showed only 26% dimensional stability due to the presence of too much water for organosilanes treatment. With a moisture content of 14%-18% (oven dried or air dried wood), the treatment was adapted to obtain the best improvement in dimensional stability of 35% and a 25% reduction of water vapor sorption. Finally, impregnation with organosilanes combined with the appropriate heat treatment improved the dimensional stability of white spruce wood by up to 35%. This treated Canadian wood could be an interesting option to validate for siding application in Canada.
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http://dx.doi.org/10.3390/ma13040973 | DOI Listing |
J Mol Model
January 2025
Nanjing Hydraulic Research Institute, Shanghai, China.
Context: This study systematically investigated the effects of single S-atom vacancy defects and composite defects (vacancy combined with doping) on the properties of MoS using density functional theory. The results revealed that N-doped S-vacancy MoS has the smallest composite defect formation energy, indicating its highest stability. Doping maintained the direct band gap characteristic, with shifts in the valence band top.
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January 2025
Department of Inorganic Chemistry, Shahid Beheshti University, 1983969411, Tehran, Iran.
In a systematic study, six pseudopolymorphic coordination polymers containing the ditopic 1,3-di(pyridin-4-yl)urea ligand (4bpu) constructed with d metal cations, possessing the formula {[M(4bpu)I]S} [(M = Zn, Cd and Hg), (S = MeOH or EtOH)], namely Zn-MeOH, Zn-EtOH, Cd-MeOH, Cd-EtOH, Hg- and Hg-EtOH were obtained. The title compounds were characterized by single-crystal X-ray diffraction analysis (SC-XRD), elemental analysis (CHN), FT-IR spectroscopy, thermogravimetric analysis (TGA), and powder X-ray diffraction (PXRD). The diffraction studies show that these compounds are isostructural 1D zig-zag chain coordination polymers which is also confirmed using XPac 2.
View Article and Find Full Text PDFSoft Matter
January 2025
College of Chemistry, Sichuan University, Chengdu 610064, China.
Biomolecules usually adopt ubiquitous circular structures which are important for their functionality. Based on three-dimensional Langevin dynamics simulations, we investigate the conformational change of a polymer confined in a spherical cavity. Both passive and active polymers with either homogeneous or heterogeneous stiffness are analyzed in a comparative manner.
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January 2025
Key Laboratory for Photonic and Electronic Bandgap Materials, Ministry of Education, School of Physics and Electronic Engineering, Harbin Normal University, Harbin 150025, People's Republic of China.
A binder-free and freestanding electrode was designed by uniformly immobilizing carbon quantum dot (CQD)-anchored polyaniline (PANI) heterostructures onto electrospun carbon nanofibers (CNFs) a facile hierarchical assembly process. The fabricated freestanding CNF/PANI/CQD electrode exhibits a unique three-dimensional (3D) network nanostructure, which accelerates ion migration between the interior and surface of the electrode, thereby enhancing its charging and discharging performance. Moreover, the functional groups on the surface of CQDs could anchor PANI through possible chemical bonding, which not only improves the stability of the PANI/CQD heterojunction but also creates an additional conductive channel for the PANI polymer.
View Article and Find Full Text PDFBiochem Biophys Rep
March 2025
Department of Integrative Biology, School of Biosciences and Technology, Vellore Institute of Technology (VIT), Vellore, 632014, Tamil Nadu, India.
The rising resistance to fluoroquinolones in Typhimurium poses a significant global health challenge. This computational research addresses the pressing need for new therapeutic drugs by utilizing various computational tools to identify potential natural compounds that can inhibit the triple mutant DNA gyrase subunit A enzyme, which is crucial in fluoroquinolone resistance. Initially, the three-dimensional structure of the wild-type DNA gyrase A protein was modeled using homology modeling, and followed by mutagenesis to create the clinically relevant triple mutant (SER83PHE, ASP87GLY, ALA119SER) DNA gyrase A protein structure.
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